(2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide

C14H18Cl2N2S — CID 40642543

IUPAC(2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=S)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2S/c1-9-4-3-5-10(2)18(9)14(19)17-11-6-7-12(15)13(16)8-11/h6-10H,3-5H2,1-2H3,(H,17,19)/t9-,10-/m1/s1
InChIKeyGAYQIKIIBPUHOO-NXEZZACHSA-N
MW317.29 g/mol
LogP4.95
Rot. Bonds1

About (2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide

(2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide (PubChem CID 40642543) has the molecular formula C14H18Cl2N2S and a molecular weight of 317.29 g/mol. Its IUPAC name is (2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name(2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
PubChem CID40642543
Molecular FormulaC14H18Cl2N2S
Molecular Weight317.29 g/mol
Exact Mass316.06
IUPAC Name(2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=S)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2S/c1-9-4-3-5-10(2)18(9)14(19)17-11-6-7-12(15)13(16)8-11/h6-10H,3-5H2,1-2H3,(H,17,19)/t9-,10-/m1/s1
InChIKeyGAYQIKIIBPUHOO-NXEZZACHSA-N
XLogP4.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S,6S)-N-(4-chlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 40642609
N-(2,5-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 19654001
N-(4-bromophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 17381839
N-(4-bromo-2-chlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 19654017
1-N,4-N-bis(3,4-dichlorophenyl)-2-methylpiperazine-1,4-dicarbothioamide
CID 20788469
(2S,5S)-N-(3,4-dichlorophenyl)-5-ethyl-2-methylpiperidine-1-carbothioamide
CID 6922784
N-(3,4-dichlorophenyl)-5-ethyl-2-methylpiperidine-1-carbothioamide
CID 2725491
N-(3,4-dichlorophenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 19686698
(2R,6S)-2,6-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide
CID 27520920
1-(3,4-dichlorophenyl)-3-[2-(2-methylpiperidin-1-yl)propyl]thiourea
CID 43076905
N-(3,4-dichlorophenyl)-4-methylpiperazin-4-ium-1-carbothioamide
CID 4744709
1-(3,4-dichlorophenyl)-3-(2-methylcyclohexyl)thiourea
CID 19652564

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide?
The IUPAC name of (2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide (CID 40642543) is (2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide.
What is the SMILES notation for (2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide?
The canonical SMILES for (2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide is C[C@@H]1CCC[C@@H](C)N1C(=S)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide?
The InChIKey is GAYQIKIIBPUHOO-NXEZZACHSA-N. The full InChI is InChI=1S/C14H18Cl2N2S/c1-9-4-3-5-10(2)18(9)14(19)17-11-6-7-12(15)13(16)8-11/h6-10H,3-5H2,1-2H3,(H,17,19)/t9-,10-/m1/s1.
What are the key properties of (2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide?
(2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide has a molecular weight of 317.29 g/mol, XLogP of 4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-(3,4-dichlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide is sourced from PubChem (CID 40642543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).